Information card for entry 2312045

Structure parameters

• Chemical name: 1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)
• Formula: C26 H20 Cl2 N4
• Calculated formula: C26.0104 H20.008 Cl2.0008 N4.0016
• Title of publication: (E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.
• Authors of publication: Parkin, Sean; Glidewell, Christopher; Horton, Peter N.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 77 - 82
• a: 22.657 ± 0.01 Å
• b: 5.4399 ± 0.0018 Å
• c: 19.086 ± 0.006 Å
• α: 90°
• β: 99.967 ± 0.007°
• γ: 90°
• Cell volume: 2316.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes